Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5776691

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
SLC6A7 Q99884 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.42
CETP P11597 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HTT P42858 2/20 0.42
HTR7 P34969 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL5774748 0.90 ALDH1A1 (0.53) GRM5L3MBTL1KDM4EHTR7ME2
Trifluoroacetic Acid SCHEMBL5772610 0.89 GFER (0.53) GFERTSHRPOLBNPC1MAPT
Trifluoroacetic Acid SCHEMBL5777433 0.89 GFER (0.53) GFERALDH1A1TSHRPOLBNPC1
Trifluoroacetic Acid SCHEMBL5775321 0.86 KMT2A (0.53) L3MBTL1GFERALDH1A1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5776834 0.86 HTT (0.46) GFERHTTHTR7ME2ME1
Trifluoroacetic Acid SCHEMBL5776836 0.86 PARP1 (0.44) L3MBTL1GFERHTR7TSHRGAA
Trifluoroacetic Acid SCHEMBL5775195 0.85 ATM (0.49) L3MBTL1GFERMAPT
Trifluoroacetic Acid SCHEMBL5774077 0.85 POLB (0.51) GFERHTR7ALDH1A1POLBHTR1A
Trifluoroacetic Acid SCHEMBL5776129 0.84 MEN1 (0.50) GFERKDM4EHTTHTR7ALDH1A1
Trifluoroacetic Acid SCHEMBL5776847 0.84 MDM2 (0.39) L3MBTL1GFERHTTHTR7ME2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR GRM5 2777/4885SLC6A7 1252/4885L3MBTL1 2718/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GRM5 2662/4885SLC6A7 1533/4885L3MBTL1 1898/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.